4,4-dimethoxy-1-[1-(phenylsulfonyl)indol-2-yl]cyclohexa-2,5-dien-1-ol

Systemtic Name: 4,4-dimethoxy-1-[1-(phenylsulfonyl)indol-2-yl]cyclohexa-2,5-dien-1-ol Openeye Name: 1-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethoxy-cyclohexa-2,5-dien-1-ol CAS Name: 1-[1-(benzenesulfonyl)-2-indolyl]-4,4-dimethoxy-1-cyclohexa-2,5-dienol IUPAC Name: 1-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethoxycyclohexa-2,5-dien-1-ol Traditional Name: 1-(1-besylindol-2-yl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-ol Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C=CC(C=C1)(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O)OC

Isomeric SMILES

COC1(C=CC(C=C1)(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O)OC

InChI

InChI=1S/C22H21NO5S/c1-27-22(28-2)14-12-21(24,13-15-22)20-16-17-8-6-7-11-19(17)23(20)29(25,26)18-9-4-3-5-10-18/h3-16,24H,1-2H3